4-(4-aminobutyl)-4-methylpyrrolidin-2-one

C9H18N2O — CID 18338292

IUPAC4-(4-aminobutyl)-4-methylpyrrolidin-2-one
SMILESCC1(CCCCN)CNC(=O)C1
InChIInChI=1S/C9H18N2O/c1-9(4-2-3-5-10)6-8(12)11-7-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyRUTVULPMSXWYEP-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.64
Rot. Bonds4

About 4-(4-aminobutyl)-4-methylpyrrolidin-2-one

4-(4-aminobutyl)-4-methylpyrrolidin-2-one (PubChem CID 18338292) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-(4-aminobutyl)-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-aminobutyl)-4-methylpyrrolidin-2-one
PubChem CID18338292
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-(4-aminobutyl)-4-methylpyrrolidin-2-one
SMILESCC1(CCCCN)CNC(=O)C1
InChIInChI=1S/C9H18N2O/c1-9(4-2-3-5-10)6-8(12)11-7-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyRUTVULPMSXWYEP-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-aminobutyl)-4-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutyl)-4-methylpyrrolidin-2-one?
The IUPAC name of 4-(4-aminobutyl)-4-methylpyrrolidin-2-one (CID 18338292) is 4-(4-aminobutyl)-4-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(4-aminobutyl)-4-methylpyrrolidin-2-one?
The canonical SMILES for 4-(4-aminobutyl)-4-methylpyrrolidin-2-one is CC1(CCCCN)CNC(=O)C1.
What is the InChIKey of 4-(4-aminobutyl)-4-methylpyrrolidin-2-one?
The InChIKey is RUTVULPMSXWYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(4-2-3-5-10)6-8(12)11-7-9/h2-7,10H2,1H3,(H,11,12).
What are the key properties of 4-(4-aminobutyl)-4-methylpyrrolidin-2-one?
4-(4-aminobutyl)-4-methylpyrrolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutyl)-4-methylpyrrolidin-2-one is sourced from PubChem (CID 18338292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).